[(2R,3R,4S,5R,6R)-6-[(E)-4-[6,6-dimethyl-4-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethanoyloxy]cyclohex-2-en-1-yl]but-3-en-2-yl]oxy-3,4,5-tris[2,2,2-tris(fluoranyl)ethanoyloxy]oxan-2-yl]methyl 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [(2R,3R,4S,5R,6R)-6-[(E)-4-[6,6-dimethyl-4-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethanoyloxy]cyclohex-2-en-1-yl]but-3-en-2-yl]oxy-3,4,5-tris[2,2,2-tris(fluoranyl)ethanoyloxy]oxan-2-yl]methyl 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [(2R,3R,4S,5R,6R)-6-[(E)-3-[6,6-dimethyl-4-oxo-1-(2,2,2-trifluoroacetyl)oxy-cyclohex-2-en-1-yl]-1-methyl-allyloxy]-3,4,5-tris[(2,2,2-trifluoroacetyl)oxy]tetrahydropyran-2-yl]methyl 2,2,2-trifluoroacetate CAS Name: 2,2,2-trifluoroacetic acid [(2R,3R,4S,5R,6R)-6-[(E)-4-[6,6-dimethyl-4-oxo-1-(2,2,2-trifluoro-1-oxoethoxy)-1-cyclohex-2-enyl]but-3-en-2-yl]oxy-3,4,5-tris(2,2,2-trifluoro-1-oxoethoxy)-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-6-[(E)-4-[6,6-dimethyl-4-oxo-1-(2,2,2-trifluoroacetyl)oxycyclohex-2-en-1-yl]but-3-en-2-yl]oxy-3,4,5-tris[(2,2,2-trifluoroacetyl)oxy]oxan-2-yl]methyl 2,2,2-trifluoroacetate Traditional Name: 2,2,2-trifluoroacetic acid [(2R,3R,4S,5R,6R)-6-[(E)-3-[4-keto-6,6-dimethyl-1-(2,2,2-trifluoroacetyl)oxy-cyclohex-2-en-1-yl]-1-methyl-allyloxy]-3,4,5-tris[(2,2,2-trifluoroacetyl)oxy]tetrahydropyran-2-yl]methyl ester Formula: C28H23F15O13 MolecularWeight: 852.450468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC1(C=CC(=O)CC1(C)C)OC(=O)C(F)(F)F)OC2C(C(C(C(O2)COC(=O)C(F)(F)F)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F

Isomeric SMILES

CC(/C=C/C1(C=CC(=O)CC1(C)C)OC(=O)C(F)(F)F)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C(F)(F)F)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F

InChI

InChI=1S/C28H23F15O13/c1-10(4-6-23(56-21(49)28(41,42)43)7-5-11(44)8-22(23,2)3)51-16-15(55-20(48)27(38,39)40)14(54-19(47)26(35,36)37)13(53-18(46)25(32,33)34)12(52-16)9-50-17(45)24(29,30)31/h4-7,10,12-16H,8-9H2,1-3H3/b6-4+/t10?,12-,13-,14+,15-,16-,23?/m1/s1